tert-butyl 2-piperidin-4-ylsulfanylethanoate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one

Systemtic Name: tert-butyl 2-piperidin-4-ylsulfanylethanoate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: tert-butyl 2-(4-piperidylsulfanyl)acetate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(4-piperidinylthio)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-piperidin-4-ylsulfanylacetate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(4-piperidylthio)acetic acid tert-butyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1CCNCC1.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CSC1CCNCC1.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H21NO2S.C8H5NO4/c1-11(2,3)14-10(13)8-15-9-4-6-12-7-5-9;10-8-6-3-1-5(2-4-6)7(13-8)9(11)12/h9,12H,4-8H2,1-3H3;1-4,7H